Vitas-M small molecule compound
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]acetamide
Catalog ID
STK593085
SMILES O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)/N=c\1/sc2c([nH]1)ccc(c2)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H13N7O5S MW 415.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N7O5S/c1-20-13-12(14(25)21(2)16(20)26)22(7-17-13)6-11(24)19-15-18-9-4-3-8(23(27)28)5-10(9)29-15/h3-5,7H,6H2,1-2H3,(H,18,19,24)InChIKey
VPKPTDRWMGHRGS-UHFFFAOYSA-NSynonyms
349133-07-92(13dimethyl26dioxo1236tetrahydro7Hpurin7yl)N((2E)6nitro13benzothiazol2(3H)ylidene)acetamide
MFCD07204581
O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N=c1sc2c((nH)1)ccc(c2)(N+)(=O)(O)
ZINC000013534283
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